4-[2-[4-(3-ethylpentanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-ethylpentanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(3-ethylpentanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[4-(3-ethyl-1-oxopentyl)-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[4-(3-ethylpentanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-(3-ethylpentanoyl)piperazino]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

Isomeric SMILES

CCC(CC)CC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

InChI

InChI=1S/C23H31N5O/c1-3-18(4-2)14-23(29)28-11-9-27(10-12-28)22(21-16-25-17-26-21)13-19-5-7-20(15-24)8-6-19/h5-8,16-18,22H,3-4,9-14H2,1-2H3,(H,25,26)